(4aS,9aR)-N-Allyl-7-cyclohexyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-carboxamide

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Systematic / IUPAC Name: (4aS,9aR)-7-Cyclohexyl-6-oxo-N-prop-2-enyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide

ID: Reference9236

Other Names: 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-cyclohexyldecahydro-6-oxo-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-345400

Formula: C19H31N3O2

Spectral Data

(4aS,9aR)-N-Allyl-7-cyclohexyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2166
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:15:59 AM
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Identificators

InChI InChI=1S/C19H31N3O2/c1-2-10-20-19(24)21-11-8-15-13-18(23)22(12-9-16(15)14-21)17-6-4-3-5-7-17/h2,15-17H,1,3-14H2,(H,20,24)/t15-,16-/m0/s1
InChI Key JDCLQUHOOOYVRB-HOTGVXAUSA-N
Canonical SMILES C=CCNC(=O)N1CCC2CC(=O)N(CCC2C1)C3CCCCC3
CAS
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Other Names 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-cyclohexyldecahydro-6-oxo-N-2-propen-1-yl-, (4aS,9aR)-;
NAT14-345400

In Other Databases

PubChem 26742713
ChemSpider 21384585